Sugi Predict

Sugi Predict / Compounds / SCHEMBL13558784

SCHEMBL13558784

SCHEMBL13558784

Cc1ccc2c(c1)c(C=O)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ RET P07949 5/20 0.36
▸ ATR Q13535 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12090322 0.90 CYP4F2 (0.38) CYP4F2CYP4A11GAARETATR
SCHEMBL660435 0.85 ALDH1A1 (0.36) CYP4F2CYP4A11GAARETATR
SCHEMBL16100177 0.85 CYP4F2 (0.40) CYP4F2CYP4A11GAARETATR
SCHEMBL16100304 0.85 CYP4F2 (0.40) CYP4F2CYP4A11GAARETATR
SCHEMBL5809971 0.85 CYP4F2 (0.38) CYP4F2CYP4A11GAARETATR
SCHEMBL16881008 0.85 RXRA (0.35) CYP4F2CYP4A11GAARETATR
SCHEMBL30950223 0.82 CYP4F2 (0.39) CYP4F2CYP4A11GAARETATR
SCHEMBL16125888 0.82 CYP4F2 (0.39) CYP4F2CYP4A11GAARETATR
SCHEMBL30084695 0.82 CYP4F2 (0.44) CYP4F2CYP4A11GAARETATR
SCHEMBL20176296 0.82 CYP4F2 (0.41) CYP4F2CYP4A11GAARETATR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9943504-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2018-04-17 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-04 — — US disclosed
US-9394258-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-07-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — US disclosed
US-8569511-B2 Substituted 3-(1H-benzo[d]imidazol-2-yl)-1H-indazole analogs as inhibitors of the PDK1 kinase UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-10-29 — — US disclosed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP4F2 751/4885CYP4A11 765/4885GAA 287/4885
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP4F2 751/4885CYP4A11 765/4885GAA 287/4885
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP4F2 751/4885CYP4A11 765/4885GAA 287/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP4F2 751/4885CYP4A11 765/4885GAA 287/4885
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE PDK1, PDK3, PDK2 CYP4F2 3688/4885CYP4A11 3719/4885GAA 1526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.